The objective of this work is to speed up computation of interactions between atoms of water, which uses the brute force approach. We want to speed up computations using OpenCL API, which allows more efficient use of multicore CPUs. OpenCL (Open Computing Language) is a programming interface for parallel programming, independent of the hardware platforms. Using OpenCL significantly improves performance due to efficient use of highly parallel architecture of today’s CPUs and GPUs. When calculating interactions we can predict the movement of water atoms. Since we have to calculate the force and distance for each pair of atoms time complexity of the problem is O(N2). We find out that parallelisation using OpenCL significantly speeds up calcula...
<div><p>Recent developments in modern computational accelerators like Graphics Processing Units (GPU...
this article Download to Citation Manager Collections under which this unparallelizable to be perfor...
N-Body simulations are a common method of modeling the interacting behavior between objects from the...
The objective of this work is to speed up computation of interactions between atoms of water, which ...
Hybrid computational architectures based on the joint power of Central Processing Units (CPUs) and G...
Fast and accurate determination of the 3D structure of molecules is essential for better understandi...
Computational chemistry allows researchers to experiment in sillico: by running a computer simulatio...
We examine parallel algorithms for molecular dynamics simulations involving long-range induction int...
A processor pool is a homogeneous collection of processors that are used for computationally intensi...
Classical molecular dynamics simulation for atomistic systems is implemented in OpenCL and benchmark...
Parallel programming on graphic cards is mostly known in the research community. It?s using for time...
Parallel computer programs are used to speed up the calculation of computationally-demanding scienti...
Simulations of interacting particles are common in science and engineering, appearing in such divers...
Molecular Dynamics (MD) is a widely used tool for simulations of particle systems with pair-wise int...
Molecular Docking is a methodology used extensively in modern drug design. It aims to predict the bi...
<div><p>Recent developments in modern computational accelerators like Graphics Processing Units (GPU...
this article Download to Citation Manager Collections under which this unparallelizable to be perfor...
N-Body simulations are a common method of modeling the interacting behavior between objects from the...
The objective of this work is to speed up computation of interactions between atoms of water, which ...
Hybrid computational architectures based on the joint power of Central Processing Units (CPUs) and G...
Fast and accurate determination of the 3D structure of molecules is essential for better understandi...
Computational chemistry allows researchers to experiment in sillico: by running a computer simulatio...
We examine parallel algorithms for molecular dynamics simulations involving long-range induction int...
A processor pool is a homogeneous collection of processors that are used for computationally intensi...
Classical molecular dynamics simulation for atomistic systems is implemented in OpenCL and benchmark...
Parallel programming on graphic cards is mostly known in the research community. It?s using for time...
Parallel computer programs are used to speed up the calculation of computationally-demanding scienti...
Simulations of interacting particles are common in science and engineering, appearing in such divers...
Molecular Dynamics (MD) is a widely used tool for simulations of particle systems with pair-wise int...
Molecular Docking is a methodology used extensively in modern drug design. It aims to predict the bi...
<div><p>Recent developments in modern computational accelerators like Graphics Processing Units (GPU...
this article Download to Citation Manager Collections under which this unparallelizable to be perfor...
N-Body simulations are a common method of modeling the interacting behavior between objects from the...